N-(1-butyl-3-tert-butylpyrazol-5-yl)-2-fluoro-5-(trifluoromethyl)benzamide

C19H23F4N3O — CID 66643255

IUPACN-(1-butyl-3-tert-butylpyrazol-5-yl)-2-fluoro-5-(trifluoromethyl)benzamide
SMILESCCCCn1nc(C(C)(C)C)cc1NC(=O)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C19H23F4N3O/c1-5-6-9-26-16(11-15(25-26)18(2,3)4)24-17(27)13-10-12(19(21,22)23)7-8-14(13)20/h7-8,10-11H,5-6,9H2,1-4H3,(H,24,27)
InChIKeyZZQZWGFLWHOQIT-UHFFFAOYSA-N
MW385.41 g/mol
LogP5.39
Rot. Bonds5

About N-(1-butyl-3-tert-butylpyrazol-5-yl)-2-fluoro-5-(trifluoromethyl)benzamide

N-(1-butyl-3-tert-butylpyrazol-5-yl)-2-fluoro-5-(trifluoromethyl)benzamide (PubChem CID 66643255) has the molecular formula C19H23F4N3O and a molecular weight of 385.41 g/mol. Its IUPAC name is N-(1-butyl-3-tert-butylpyrazol-5-yl)-2-fluoro-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1-butyl-3-tert-butylpyrazol-5-yl)-2-fluoro-5-(trifluoromethyl)benzamide
PubChem CID66643255
Molecular FormulaC19H23F4N3O
Molecular Weight385.41 g/mol
Exact Mass385.18
IUPAC NameN-(1-butyl-3-tert-butylpyrazol-5-yl)-2-fluoro-5-(trifluoromethyl)benzamide
SMILESCCCCn1nc(C(C)(C)C)cc1NC(=O)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C19H23F4N3O/c1-5-6-9-26-16(11-15(25-26)18(2,3)4)24-17(27)13-10-12(19(21,22)23)7-8-14(13)20/h7-8,10-11H,5-6,9H2,1-4H3,(H,24,27)
InChIKeyZZQZWGFLWHOQIT-UHFFFAOYSA-N
XLogP5.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.41
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-butyl-3-tert-butylpyrazol-5-yl)-2-fluoro-5-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-butyl-3-tert-butylpyrazol-5-yl)-2-fluoro-5-(trifluoromethyl)benzamide?
The IUPAC name of N-(1-butyl-3-tert-butylpyrazol-5-yl)-2-fluoro-5-(trifluoromethyl)benzamide (CID 66643255) is N-(1-butyl-3-tert-butylpyrazol-5-yl)-2-fluoro-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1-butyl-3-tert-butylpyrazol-5-yl)-2-fluoro-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1-butyl-3-tert-butylpyrazol-5-yl)-2-fluoro-5-(trifluoromethyl)benzamide is CCCCn1nc(C(C)(C)C)cc1NC(=O)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of N-(1-butyl-3-tert-butylpyrazol-5-yl)-2-fluoro-5-(trifluoromethyl)benzamide?
The InChIKey is ZZQZWGFLWHOQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F4N3O/c1-5-6-9-26-16(11-15(25-26)18(2,3)4)24-17(27)13-10-12(19(21,22)23)7-8-14(13)20/h7-8,10-11H,5-6,9H2,1-4H3,(H,24,27).
What are the key properties of N-(1-butyl-3-tert-butylpyrazol-5-yl)-2-fluoro-5-(trifluoromethyl)benzamide?
N-(1-butyl-3-tert-butylpyrazol-5-yl)-2-fluoro-5-(trifluoromethyl)benzamide has a molecular weight of 385.41 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butyl-3-tert-butylpyrazol-5-yl)-2-fluoro-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 66643255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).